Macrocycle Conformational Sampling with MacroModel.

K. Shawn Watts Pranav Dalal Andrew J. Tebben Daniel L. Cheney John C. Shelley

Published in: J. Chem. Inf. Model. (2014)

Keyphrases

monte carlo
random sampling
multiscale
sampling strategy
database
real time
learning algorithm
parameter space
protein folding
genetic algorithm
e learning
sample size
coarse grained
sampled data
low energy